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PENTANDRANOIC-ACID-C;3-ALPHA-HYDROXY-12-OXO-CLERODA-4(18),13(16)-DIEN-15-OIC-ACID
SpectraBase Compound ID 8Vd36z3aHKk
InChI InChI=1S/C20H30O4/c1-12(10-18(23)24)16(22)11-20(5)13(2)8-9-19(4)14(3)15(21)6-7-17(19)20/h13,15,17,21H,1,3,6-11H2,2,4-5H3,(H,23,24)/t13-,15-,17+,19+,20+/m1/s1
InChIKey AXFOKPPCLGXPNK-UJSLSXSBSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vfhBQNyzvl
Name PENTANDRANOIC-ACID-C;3-ALPHA-HYDROXY-12-OXO-CLERODA-4(18),13(16)-DIEN-15-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-12(10-18(23)24)16(22)11-20(5)13(2)8-9-19(4)14(3)15(21)6-7-17(19)20/h13,15,17,21H,1,3,6-11H2,2,4-5H3,(H,23,24)/t13-,15-,17+,19+,20+/m1/s1
InChIKey AXFOKPPCLGXPNK-UJSLSXSBSA-N
Literature Reference Author J.XU,L.J.HARRISON,J.J.VITTAL,Y.J.XU,S.H.GOH
Literature Reference Citation J.NAT.PROD.,63,1062(2000)
Literature Reference DOI 10.1021/np990584m
Molecular Weight 334.456 g/mol
Solvent CDCl3
Source File Reference UWRU7345